NIST 06301522493D 1 1.00000 -501.61399 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 4.2342 4.0386 1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5728 4.1610 1.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 3.1493 2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 5.1865 1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9103 3.5042 2.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 1.8327 2.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 4.9292 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 6.2781 1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 2.5830 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 0.9128 3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 6.1467 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 1.2834 3.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 3.1063 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 5.1401 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 4.5165 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 1.5290 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 4.5685 2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 4.0798 0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9304 2.8793 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8772 -0.0982 3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 6.9810 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 6.4900 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0133 5.9084 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2742 0.5616 3.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 3 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 12 2 0 0 0 0 9 19 1 0 0 0 0 10 6 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 10 1 0 0 0 0 12 24 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-06-30 > 3152-68-9 > B3LYP/6-31G* > 3.1935 debye > -501.613990420 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 28.3747 2.1176 53.1076 0.3019 82.9066 0.5069 93.4682 0.2904 124.4076 0.0848 209.5944 0.6336 211.4472 0.4822 257.9793 1.4262 284.8252 0.8547 324.6497 14.9527 414.1201 0.0218 490.6471 4.4498 494.2414 2.3534 564.8694 0.1814 576.2128 23.1789 633.9868 0.1767 675.6122 0.4903 701.9373 18.8377 762.9810 29.9391 812.3783 14.8385 824.4452 5.7495 853.6611 0.6076 883.5662 6.2416 922.0146 2.0211 932.9767 0.0858 968.6576 0.0002 997.8826 0.3749 1014.4283 9.1306 1016.9181 0.6368 1041.9129 21.6874 1053.2243 42.8836 1064.3812 73.6837 1098.9026 0.1258 1113.8653 3.9656 1149.7135 155.6549 1194.6113 0.7952 1215.0600 10.6321 1239.3319 9.9747 1290.5804 0.0888 1317.8350 29.2159 1348.7788 3.8696 1366.5934 22.9200 1374.0315 5.5608 1398.2828 69.6244 1442.6531 4.7171 1486.0520 7.5879 1497.0869 21.9572 1523.3901 5.3171 1528.2752 10.4468 1546.1121 11.1075 1633.0522 26.0170 1658.7974 48.4864 1676.4383 283.7240 1779.0516 86.9686 3019.3833 26.4335 3045.5011 14.6044 3065.1206 30.4757 3132.6075 26.4864 3140.4437 23.7094 3167.8041 0.4801 3178.9406 11.1182 3183.5179 3.0111 3189.3600 0.8055 3198.3615 11.4604 3206.7931 35.1551 3214.1626 20.2889 > 3.42004 GHz 0.34413 GHz 0.31387 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$